2-(morpholin-4-yl)propanoic acid hydrochloride

• ChemBase编号: 13430
• 分子式: C7H14ClNO3
• 平均质量: 195.64396
• 单一同位素质量: 195.06622099
• SMILES: C1OCCN(C1)C(C(=O)O)C.Cl
• Canonical SMILES: CC(C(=O)O)N1CCOCC1.Cl
• InChI: InChI=1S/C7H13NO3.ClH/c1-6(7(9)10)8-2-4-11-5-3-8;/h6H,2-5H2,1H3,(H,9,10);1H
• InChIKey: ZKEGDUIFZVBHQV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(morpholin-4-yl)propanoic acid hydrochloride
• IUPAC传统名: 2-(morpholin-4-yl)propanoic acid hydrochloride
• 别名: 2-Morpholin-4-ylpropanoic acid hydrochloride; 2-Morpholin-4-yl-propionic acid hydrochloride; 2-morpholin-4-ylpropanoic acid hydrochloride

登记号

• MDL号: MFCD06801124
• PubChem SID: 160976737
• PubChem CID: 43810774

理论计算性质

• Acid pKa: 3.0623984
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.2538366
• LogD (pH = 7.4): -2.9007242
• Log P: -2.2403429
• 摩尔折射率: 39.6411 cm^3
• 极化性: 15.687127 Å^3
• 极化表面积: 49.77 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 229 - 231°C
• 疏水性(logP): -1.093

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C7H14ClNO3

详细说明

Sigma Aldrich - CBR00946

Other Notes
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Legal Information
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